Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4062422
Preview
| Coordinates | 4062422.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H23 Fe2 Ga N2 O6 |
|---|---|
| Calculated formula | C26 H23 Fe2 Ga N2 O6 |
| SMILES | [Ga]1([Fe](C#[O])(C#[O])(C#[O])C#[O])([Fe]2345(C#[O])(C#[O])[c]6([c]2([c]3([c]4([c]56C)C)C)C)C)[n]2ccccc2c2[n]1cccc2 |
| Title of publication | Synthesis and Structure of the First Dinuclear Complex Bridged by a Substituent-Free Gallium Atom |
| Authors of publication | Ueno, Keiji; Watanabe, Takahito; Tobita, Hiromi; Ogino, Hiroshi |
| Journal of publication | Organometallics |
| Year of publication | 2003 |
| Journal volume | 22 |
| Journal issue | 22 |
| Pages of publication | 4375 - 4377 |
| a | 14.8574 ± 0.0006 Å |
| b | 10.9612 ± 0.0004 Å |
| c | 17.2178 ± 0.0005 Å |
| α | 90° |
| β | 107.723 ± 0.0012° |
| γ | 90° |
| Cell volume | 2670.93 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192089 (current) | 2017-02-14 | cif/4/06/24/ (antanas@echidna.ibt.lt) Updating bibliography in entries 4062421, 4062422. |
4062422.cif |
| 178520 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/24. |
4062422.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4062422.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4062422.cif |
| 853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
4062422.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
4062422.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4062422.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
4062422.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
4062422.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.